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Information card for entry 1551725
Preview
| Coordinates | 1551725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 N2 O2 |
|---|---|
| Calculated formula | C13 H10 N2 O2 |
| SMILES | C(=O)(c1ccc(cc1)/N=C/c1ccccn1)O |
| Title of publication | Crystal Structure of Pyridinyl-2-methylene-4-aminobenzoic acid |
| Authors of publication | ALIZADEH, Kamal; MORSALI, Ali |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 11 |
| a | 3.8458 ± 0.0016 Å |
| b | 18.282 ± 0.007 Å |
| c | 15.381 ± 0.006 Å |
| α | 90° |
| β | 92.21 ± 0.008° |
| γ | 90° |
| Cell volume | 1080.6 ± 0.7 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216337 (current) | 2019-06-20 | cif/ Adding structures of 1551725 via cif-deposit CGI script. |
1551725.cif |
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